Cas no 90481-83-7 (1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]-)

1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]- structure
90481-83-7 structure
Product Name:1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]-
CAS No:90481-83-7
MF:C15H11BrINO2S
MW:476.126814126968
CID:3225425
PubChem ID:14398914
Update Time:2025-04-21

1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]- Chemical and Physical Properties

Names and Identifiers

    • 1H-INDOLE, 4-BROMO-3-IODO-1-[(4-METHYLPHENYL)SULFONYL]-
    • 90481-83-7
    • 1h-indole,4-bromo-3-iodo-1-[(4-methylphenyl)sulfonyl]-
    • Inchi: 1S/C15H11BrINO2S/c1-10-5-7-11(8-6-10)21(19,20)18-9-13(17)15-12(16)3-2-4-14(15)18/h2-9H,1H3
    • InChI Key: WXWRBOSKPOSENQ-UHFFFAOYSA-N
    • SMILES: N1(S(C2=CC=C(C)C=C2)(=O)=O)C2=C(C(Br)=CC=C2)C(I)=C1

Computed Properties

  • Exact Mass: 474.87386Da
  • Monoisotopic Mass: 474.87386Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 473
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 47.5?2
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